N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide

C25H27N3O2 — CID 25156531

IUPACN-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
SMILESCC(C)CC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C25H27N3O2/c1-17(2)14-24(29)27-16-18-8-10-20(11-9-18)25(30)28-23-15-21(12-13-22(23)26)19-6-4-3-5-7-19/h3-13,15,17H,14,16,26H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOETVIHXIGVZQPR-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.85
Rot. Bonds7

About N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide (PubChem CID 25156531) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
PubChem CID25156531
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
SMILESCC(C)CC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C25H27N3O2/c1-17(2)14-24(29)27-16-18-8-10-20(11-9-18)25(30)28-23-15-21(12-13-22(23)26)19-6-4-3-5-7-19/h3-13,15,17H,14,16,26H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOETVIHXIGVZQPR-UHFFFAOYSA-N
XLogP4.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide
CID 71471337

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide (CID 25156531) is N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide is CC(C)CC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide?
The InChIKey is OETVIHXIGVZQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17(2)14-24(29)27-16-18-8-10-20(11-9-18)25(30)28-23-15-21(12-13-22(23)26)19-6-4-3-5-7-19/h3-13,15,17H,14,16,26H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide is sourced from PubChem (CID 25156531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).